Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50133481'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50133481 (CHEMBL3633025) Show SMILES OC(=O)[C@@H](CC(=O)NC1CCCCCC1)NC(=O)c1csc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C21H25N3O4S/c25-18(22-15-10-6-1-2-7-11-15)12-16(21(27)28)23-19(26)17-13-29-20(24-17)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,1-2,6-7,10-12H2,(H,22,25)(H,23,26)(H,27,28)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of Pin-1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 25: 5619-24 (2015) Article DOI: 10.1016/j.bmcl.2015.10.033 BindingDB Entry DOI: 10.7270/Q25X2BSP
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